SCHEMBL31037098

SCHEMBL31037098

COc1nn(-c2ccccc2)c2c1cc(O)c1cc(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 9/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ SPR P35270 1/20 0.38
▸ ESR1 P03372 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ APP P05067 1/20 0.34
▸ CAMK2A Q9UQM7 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31037087 0.87 POLB (0.40) KHKNPC1RAB9APAX8SPR
SCHEMBL31037105 0.87 NPC1 (0.44) KHKNPC1RAB9APAX8MPO
SCHEMBL31037097 0.86 KHK (0.43) KHKNPC1RAB9APAX8ALDH1A1
SCHEMBL31037089 0.85 KHK (0.42) KHKNPC1RAB9APAX8MPO
SCHEMBL25301915 0.83 SPR (0.49) KHKSPRALDH1A1
SCHEMBL31037064 0.80 CA9 (0.45) KHKNPC1RAB9AALDH1A1MAPT
SCHEMBL31037068 0.77 CYP11B1 (0.41) KHKRAB9AMAPTCYP11B1CYP11B2
SCHEMBL28719142 0.77 CYP11B1 (0.41) KHKRAB9AMAPTCYP11B1CYP11B2
SCHEMBL31037073 0.75 POLB (0.46) KHKALDH1A1MAPT
SCHEMBL31037079 0.74 ATM (0.48) KHKNPC1RAB9APAX8MPO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113454068-B Benzonazolone compounds and intermediates thereof LMITO药业株式会社 2024-08-02 — — CN disclosed
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